Geometry & MOs

Info

ID:	404974
PubChem CID:	135071983
Reduced:	N2H10C13 (1)
Stoich.:	A2B10C13 (1)
Weight, g/mol:	411.075214
ΔH_f, kcal/mol:	106.11
Dipole, Da:	7.13
IP(EA), eV:	-9.32(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,4E)-4-(4-methylphenyl)sulfonylimino-4-[4-(trifluoromethyl)phenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C=C(C#N)C#N

DOS

IR

Vibrations